1,1-dimethyl-4,4-diphenyl-2-(phenylmethyl)piperidin-1-ium-3-one bromide

Systemtic Name: 1,1-dimethyl-4,4-diphenyl-2-(phenylmethyl)piperidin-1-ium-3-one bromide Openeye Name: 2-benzyl-1,1-dimethyl-4,4-diphenyl-piperidin-1-ium-3-one bromide CAS Name: 1,1-dimethyl-4,4-diphenyl-2-(phenylmethyl)-3-piperidin-1-iumone bromide IUPAC Name: 2-benzyl-1,1-dimethyl-4,4-diphenylpiperidin-1-ium-3-one bromide Traditional Name: 2-benzyl-1,1-dimethyl-4,4-diphenyl-piperidin-1-ium-3-one bromide Formula: C26H28BrNO MolecularWeight: 450.41062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(C(=O)C1CC2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C.[Br-]

Isomeric SMILES

C[N+]1(CCC(C(=O)C1CC2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C.[Br-]

InChI

InChI=1S/C26H28NO.BrH/c1-27(2)19-18-26(22-14-8-4-9-15-22,23-16-10-5-11-17-23)25(28)24(27)20-21-12-6-3-7-13-21;/h3-17,24H,18-20H2,1-2H3;1H/q+1;/p-1